3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine

C14H21F2N — CID 82920845

IUPAC3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(Cc1ccc(F)c(F)c1)C(C)C
InChIInChI=1S/C14H21F2N/c1-9(2)12(10(3)17-4)7-11-5-6-13(15)14(16)8-11/h5-6,8-10,12,17H,7H2,1-4H3
InChIKeyZABYFRAKWNBXMX-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.39
Rot. Bonds5

About 3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine

3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine (PubChem CID 82920845) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine
PubChem CID82920845
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(Cc1ccc(F)c(F)c1)C(C)C
InChIInChI=1S/C14H21F2N/c1-9(2)12(10(3)17-4)7-11-5-6-13(15)14(16)8-11/h5-6,8-10,12,17H,7H2,1-4H3
InChIKeyZABYFRAKWNBXMX-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine
CID 55132620
3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 63401426
1-(3,4-difluorophenyl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 113422166
3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 62914728
1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol
CID 103456481
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146
1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 82923071
3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 63401781
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
methyl 4-(3,4-difluorophenyl)-3-(methylamino)butanoate
CID 82351619
(2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide
CID 10561294
1-(3,4-difluorophenyl)-N-methylpent-4-yn-2-amine
CID 114977659

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine (CID 82920845) is 3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine is CNC(C)C(Cc1ccc(F)c(F)c1)C(C)C.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine?
The InChIKey is ZABYFRAKWNBXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-9(2)12(10(3)17-4)7-11-5-6-13(15)14(16)8-11/h5-6,8-10,12,17H,7H2,1-4H3.
What are the key properties of 3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine?
3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine has a molecular weight of 241.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 82920845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).